[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone Openeye Name: (2-methylpyrazol-3-yl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-(2-methyl-3-pyrazolyl)methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone Traditional Name: [4-(2-methylbenzyl)piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone Formula: C17H23N4O+ MolecularWeight: 299.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=NN3C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=NN3C

InChI

InChI=1S/C17H22N4O/c1-14-5-3-4-6-15(14)13-20-9-11-21(12-10-20)17(22)16-7-8-18-19(16)2/h3-8H,9-13H2,1-2H3/p+1